CID 2053148

23593-51-3

Structural Information

Molecular Formula
C12H12N2O2S
SMILES
CCOC(=O)/C(=C(\NC1=CC=CC=C1)/S)/C#N
InChI
InChI=1S/C12H12N2O2S/c1-2-16-12(15)10(8-13)11(17)14-9-6-4-3-5-7-9/h3-7,14,17H,2H2,1H3/b11-10+
InChIKey
AOZYOXJUXRMICF-ZHACJKMWSA-N
Compound name
ethyl (E)-3-anilino-2-cyano-3-sulfanylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.06195 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06923 153.5
[M+Na]+ 271.05117 162.4
[M+NH4]+ 266.09577 157.1
[M+K]+ 287.02511 152.9
[M-H]- 247.05467 147.5
[M+Na-2H]- 269.03662 155.7
[M]+ 248.06140 152.4
[M]- 248.06250 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.